Chemical ID: 7108046

COCCNCc1ccc2c(c1)OCO2
Chemical ID:
7108046
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-2-methoxy-ethanamine
SMILES [?]:
COCCNCc1ccc2c(c1)OCO2
InChi [?]:
InChI=1/C11H15NO3/c1-13-5-4-12-7-9-2-3-10-11(6-9)15-8-14-10/h2-3,6,12H,4-5,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,4,3,12,6,14,7,10,11,5,2,15,13/rA:15nCOCCNCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;s10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO3
All Atoms:30
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.87275
Area:402.357
Solvation:-4.18618
Coulombic:-32.934
Bond Count [?]
All:16
Single:13
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:209.242
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.1
LogP (Chemaxon):1.09

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Descriptor Annotations

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